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258279-04-8

Basic Information
CAS No.: 258279-04-8
Name: Ghrelin (human)
Molecular Structure:
Molecular Structure of 258279-04-8 (Ghrelin (human))
Formula: C149H249N47O42
Molecular Weight: 3370.86
Synonyms: Ghrelin, human;1: PN: WO2007092023 SEQID: 1 claimed protein;1: PN: WO2008067833SEQID: 1 claimed protein;2: PN: WO0192292 SEQID: 1 claimed protein;6: PN:WO2005014032 PAGE: 91 claimed protein;Ghrelin (human clone CTB-187P1 geneGHRELIN);Human acylated ghrelin;Human ghrelin;
Density: 1.49±0.1 g/cm3(Predicted)
Solubility: Soluble in water, and 5% acetic acid.
PSA: 1505.78000
LogP: 3.64700
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    GHRELIN (HUMAN) Basic information Product Name: GHRELIN (HUMAN) Synonyms: H-GLY-SER-SER(OCTANOYL)-PHE-LEU-SER-PRO-GLU-HIS-GLN-ARG-VAL-GLN-GLN-ARG-LYS-GLU-SER-LYS-LY

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Specification

The Ghrelin (human) is an organic compound with the formula C149H249N47O42. The CAS registry number of this chemical is 258279-04-8. It is also named as Gly-ser-ser(octanoyl)-phe-leu-ser-pro-glu-his-gln-arg-val-gln-gln-arg-lys-glu-ser-lys-lys-pro-pro-ala-lys-leu-gln-pro-arg-oh. The product's categories are Peptide; Ghrelin Receptor; Peptide Receptors. Additionally, this chemical should be stored at the temperature of -15°C.

The other characteristics of Ghrelin (human) can be summarized as: (1)XLogP3-AA -18.9; (2)H-Bond Donor: 48; (3)H-Bond Acceptor: 50; (4)Rotatable Bond Count: 119; (5)Tautomer Count: 1001; (6)Exact Mass: 3369.88268; (7)MonoIsotopic Mass: 3368.879325; (8)Topological Polar Surface Area: 1470; (9)Heavy Atom Count: 238; (10)Formal Charge: 0; (11)Complexity: 7820; (12)Isotope Atom Count: 0; (13)Defined Atom StereoCenter Count: 0; (14)Undefined Atom StereoCenter Count: 27; (15)Defined Bond StereoCenter Count: 0; (16)Undefined Bond StereoCenter Count: 0; (17)Covalently-Bonded Unit Count: 1.

People can use the following data to convert to the molecule structure. 
1. SMILES:CCCCCCCC(=O)OCC(C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)N2CCCC2C(=O)NC(CCC(=O)O)C(=O)NC(Cc3c[nH]cn3)C(=O)NC(CCC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)N4CCCC4C(=O)N5CCCC5C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)N6CCCC6C(=O)NC(CCCNC(=N)N)C(=O)O)NC(=O)C(CO)NC(=O)CN
2. InChI:InChI=1/C149H249N47O42/c1-9-10-11-12-16-45-118(209)238-78-106(191-135(225)103(75-197)171-115(204)73-154)137(227)187-101(71-84-32-14-13-15-33-84)133(223)186-100(70-81(4)5)132(222)190-105(77-199)144(234)194-66-29-42-108(194)139(229)180-95(51-57-117(207)208)128(218)188-102(72-85-74-165-79-169-85)134(224)179-92(47-53-112(156)201)126(216)175-90(39-26-63-167-148(161)162)130(220)192-119(82(6)7)141(231)181-93(48-54-113(157)202)127(217)177-91(46-52-111(155)200)125(215)174-89(38-25-62-166-147(159)160)122(212)173-87(35-18-22-59-151)121(211)178-94(50-56-116(205)206)129(219)189-104(76-198)136(226)176-88(36-19-23-60-152)123(213)182-96(37-20-24-61-153)142(232)196-68-31-44-110(196)145(235)195-67-30-41-107(195)138(228)170-83(8)120(210)172-86(34-17-21-58-150)124(214)185-99(69-80(2)3)131(221)183-97(49-55-114(158)203)143(233)193-65-28-43-109(193)140(230)184-98(146(236)237)40-27-64-168-149(163)164/h13-15,32-33,74,79-83,86-110,119,197-199H,9-12,16-31,34-73,75-78,150-154H2,1-8H3,(H2,155,200)(H2,156,201)(H2,157,202)(H2,158,203)(H,165,169)(H,170,228)(H,171,204)(H,172,210)(H,173,212)(H,174,215)(H,175,216)(H,176,226)(H,177,217)(H,178,211)(H,179,224)(H,180,229)(H,181,231)(H,182,213)(H,183,221)(H,184,230)(H,185,214)(H,186,223)(H,187,227)(H,188,218)(H,189,219)(H,190,222)(H,191,225)(H,192,220)(H,205,206)(H,207,208)(H,236,237)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168)/t83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,119-/m0/s1
3. InChIKey:GNKDKYIHGQKHHM-RJKLHVOGBW